1-aminopent-3-en-2-one;tetrahydrofluoride

C5H13F4NO — CID 173491029

IUPAC1-aminopent-3-en-2-one;tetrahydrofluoride
SMILESCC=CC(=O)CN.F.F.F.F
InChIInChI=1S/C5H9NO.4FH/c1-2-3-5(7)4-6;;;;/h2-3H,4,6H2,1H3;4*1H
InChIKeyFRAWDHJDFOMEKC-UHFFFAOYSA-N
MW179.16 g/mol
LogP0.70
Rot. Bonds2

About 1-aminopent-3-en-2-one;tetrahydrofluoride

1-aminopent-3-en-2-one;tetrahydrofluoride (PubChem CID 173491029) has the molecular formula C5H13F4NO and a molecular weight of 179.16 g/mol. Its IUPAC name is 1-aminopent-3-en-2-one;tetrahydrofluoride.

Molecular Properties

Compound Name1-aminopent-3-en-2-one;tetrahydrofluoride
PubChem CID173491029
Molecular FormulaC5H13F4NO
Molecular Weight179.16 g/mol
Exact Mass179.09
IUPAC Name1-aminopent-3-en-2-one;tetrahydrofluoride
SMILESCC=CC(=O)CN.F.F.F.F
InChIInChI=1S/C5H9NO.4FH/c1-2-3-5(7)4-6;;;;/h2-3H,4,6H2,1H3;4*1H
InChIKeyFRAWDHJDFOMEKC-UHFFFAOYSA-N
XLogP0.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-aminopent-3-en-2-one
CID 143495154
(Z)-1-aminopent-3-en-2-one;ethane
CID 143495153
(E)-5-amino-4-oxopent-2-enoic acid
CID 23437125
1-(methylamino)pent-3-en-2-one;xenon;hydrofluoride
CID 172819969
6-methylhept-2-en-4-one
CID 54395514
(E)-4-oxohept-5-enoic acid
CID 58441679
hepta-2,5-dien-4-one
CID 54179619
(E)-1-dimethylphosphorylpent-3-en-2-one
CID 89316968
oct-6-ene-3,5-dione
CID 54438744
methane;(E)-oct-6-ene-2,5-dione
CID 159043306
hex-4-en-3-one;methane;pentan-3-one
CID 160932179
(E,2S)-2-amino-2-methyl-4-oxohept-5-enoic acid
CID 175904609

Frequently Asked Questions

What is the IUPAC name of 1-aminopent-3-en-2-one;tetrahydrofluoride?
The IUPAC name of 1-aminopent-3-en-2-one;tetrahydrofluoride (CID 173491029) is 1-aminopent-3-en-2-one;tetrahydrofluoride.
What is the SMILES notation for 1-aminopent-3-en-2-one;tetrahydrofluoride?
The canonical SMILES for 1-aminopent-3-en-2-one;tetrahydrofluoride is CC=CC(=O)CN.F.F.F.F.
What is the InChIKey of 1-aminopent-3-en-2-one;tetrahydrofluoride?
The InChIKey is FRAWDHJDFOMEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.4FH/c1-2-3-5(7)4-6;;;;/h2-3H,4,6H2,1H3;4*1H.
What are the key properties of 1-aminopent-3-en-2-one;tetrahydrofluoride?
1-aminopent-3-en-2-one;tetrahydrofluoride has a molecular weight of 179.16 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopent-3-en-2-one;tetrahydrofluoride is sourced from PubChem (CID 173491029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).